CID 3063497

1-ethyl-1h-pyrrole-2-carbothioamide

Structural Information

Molecular Formula
C7H10N2S
SMILES
CCN1C=CC=C1C(=S)N
InChI
InChI=1S/C7H10N2S/c1-2-9-5-3-4-6(9)7(8)10/h3-5H,2H2,1H3,(H2,8,10)
InChIKey
KHRNOOSECHSVSN-UHFFFAOYSA-N
Compound name
1-ethylpyrrole-2-carbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

154.05647 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.06375 131.7
[M+Na]+ 177.04569 140.4
[M-H]- 153.04919 134.1
[M+NH4]+ 172.09029 153.5
[M+K]+ 193.01963 137.7
[M+H-H2O]+ 137.05373 125.7
[M+HCOO]- 199.05467 150.5
[M+CH3COO]- 213.07032 177.0
[M+Na-2H]- 175.03114 132.5
[M]+ 154.05592 131.6
[M]- 154.05702 131.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe